Information card for entry 4078599

Structure parameters

• Formula: C54 H46 Ge4
• Calculated formula: C54 H46 Ge4
• SMILES: [GeH]([Ge]([Ge]([Ge](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthetic, Structural, and Physical Investigations of the Large Linear and Branched Oligogermanes Ph3GeGePh2GePh2GePh2H, Ge5Ph12, and (Ph3Ge)4Ge
• Authors of publication: Samanamu, Christian R.; Amadoruge, Monika L.; Schrick, Aaron C.; Chen, Chao; Golen, James A.; Rheingold, Arnold L.; Materer, Nicholas F.; Weinert, Charles S.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 11
• Pages of publication: 4374
• a: 13.1929 ± 0.0013 Å
• b: 17.5573 ± 0.0018 Å
• c: 19.868 ± 0.002 Å
• α: 90°
• β: 105.178 ± 0.001°
• γ: 90°
• Cell volume: 4441.5 ± 0.8 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.0841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No